N-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide

C29H25N5O2 — CID 10412667

IUPACN-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C29H25N5O2/c1-36-28-12-5-2-8-20(28)19-31-29(35)24-10-3-4-11-25(24)32-22-13-15-23-26(33-34-27(23)18-22)16-14-21-9-6-7-17-30-21/h2-18,32H,19H2,1H3,(H,31,35)(H,33,34)/b16-14+
InChIKeyXDIDOZLHYROVPE-JQIJEIRASA-N
MW475.55 g/mol
LogP5.81
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide

N-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (PubChem CID 10412667) has the molecular formula C29H25N5O2 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
PubChem CID10412667
Molecular FormulaC29H25N5O2
Molecular Weight475.55 g/mol
Exact Mass475.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C29H25N5O2/c1-36-28-12-5-2-8-20(28)19-31-29(35)24-10-3-4-11-25(24)32-22-13-15-23-26(33-34-27(23)18-22)16-14-21-9-6-7-17-30-21/h2-18,32H,19H2,1H3,(H,31,35)(H,33,34)/b16-14+
InChIKeyXDIDOZLHYROVPE-JQIJEIRASA-N
XLogP5.81
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (CID 10412667) is N-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is COc1ccccc1CNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The InChIKey is XDIDOZLHYROVPE-JQIJEIRASA-N. The full InChI is InChI=1S/C29H25N5O2/c1-36-28-12-5-2-8-20(28)19-31-29(35)24-10-3-4-11-25(24)32-22-13-15-23-26(33-34-27(23)18-22)16-14-21-9-6-7-17-30-21/h2-18,32H,19H2,1H3,(H,31,35)(H,33,34)/b16-14+.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
N-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide has a molecular weight of 475.55 g/mol, XLogP of 5.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is sourced from PubChem (CID 10412667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).